SCHEMBL25736714

SCHEMBL25736714

CC(C)(COC(=O)CCS)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.33
CA12 O43570 4/20 0.33
CA14 Q9ULX7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CTSK P43235 2/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 4/20 0.32
CA7 P43166 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
CA9 Q16790 2/20 0.31
APLNR P35414 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25736759 0.87 TSHR (0.38) CA2CA12CA14TDP1MEN1
SCHEMBL2870572 0.79 CYP1A2 (0.32) CA2CA12CA14CYP1A2CYP2C9
SCHEMBL6318013 0.78 TDP1 (0.37) CA2CA12CA14TDP1MEN1
SCHEMBL28601857 0.76 LMNA (0.43) CA2CA12CA14TDP1MEN1
SCHEMBL30489694 0.75 TDP1 (0.40) CA2CA12CA14TDP1MEN1
SCHEMBL25736789 0.74 CA2 (0.33) CA2CA12CA14TDP1MEN1
SCHEMBL25736704 0.74 TDP1 (0.46) CA2CA12TDP1MEN1KMT2A
SCHEMBL7923566 0.73 CA2 (0.42) CA2CA12CA14TDP1MEN1
SCHEMBL14879002 0.73 CYP2C19 (0.36) KMT2ATSHRCYP1A2CYP2C19
SCHEMBL356288 0.73 HSD17B10 (0.36) TSHRCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed